SCHEMBL5685142

SCHEMBL5685142

COC(=O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
HTT P42858 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ABL1 P00519 1/20 0.36
SMYD2 Q9NRG4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5685150 1.00 ESRRB (0.39) ESRRBKMT2AALDH1A1THRBCYP2C9
SCHEMBL5873084 1.00 ESRRB (0.39) ESRRBKMT2AALDH1A1THRBCYP2C9
SCHEMBL4706102 0.87 APAF1 (0.37) ALDH1A1CYP2C19SMN1; SMN2CYP3A4HTT
SCHEMBL4706098 0.87 APAF1 (0.37) ALDH1A1CYP2C19SMN1; SMN2CYP3A4HTT
SCHEMBL451543 0.87 APAF1 (0.37) ALDH1A1CYP2C19SMN1; SMN2CYP3A4HTT
Hydrochloric Acid SCHEMBL4708235 0.87 APAF1 (0.37) ALDH1A1CYP2C19SMN1; SMN2CYP3A4HTT
Hydrochloric Acid SCHEMBL4708232 0.87 APAF1 (0.37) ALDH1A1CYP2C19SMN1; SMN2CYP3A4HTT
SCHEMBL7898284 0.86 KMT2A (0.39) KMT2AALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL6633064 0.85 CYP3A4 (0.35) ALDH1A1HPGDSMN1; SMN2CYP3A4HTT
SCHEMBL6636609 0.85 CYP3A4 (0.35) ALDH1A1HPGDSMN1; SMN2CYP3A4HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122011012-A (S) -tert-butyl ((2-methyl-7- (trimethylsilyl) hept-6-alkyne-1-yl) oxy) diphenyl silane and synthesis method and application thereof 山东省农业科学院 2026-05-12 CN disclosed
WO-2024129763-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
US-9181152-B2 Process for preparation of (3R)-2,4-di-leaving group-3-methylbut-1-ene ALPHORA RESEARCH INC. (CA) 2015-11-10 US disclosed
US-9090623-B2 Compound JK12A and preparation thereof LIANYUNGANG JINKANG HEXIN PHARMACEUTICAL CO., LTD. (CN) 2015-07-28 US disclosed
US-20150065708-A1 COMPOUND JK12A AND PREPARATION THEREOF LIANYUNGANG JINKANG HEXIN PHARMACEUTICAL CO., LTD. (CN) 2015-03-05 US disclosed
US-20140323744-A1 PROCESS FOR PREPARATION OF (3R)-2,4-DI-LEAVING GROUP-3-METHYLBUT-1-ENE ALPHORA RESEARCH INC. (CA) 2014-10-30 US disclosed
WO-2008080986-A1 FURAN DERIVATIVES, METHOD OF SYNTHESIS AND USES THEREOF NEUROPHARMA, S.A. (ES) 2008-07-10 WO disclosed
EP-1939191-A1 Furan derivatives, method of synthesis and uses thereof Neuropharma S.A. (ES) 2008-07-02 EP disclosed
US-20060223795-A1 Novel diazabicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-10-05 US disclosed
EP-1622564-A2 DIAZABICYCLONONENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-08 EP disclosed
WO-2004096116-A2 DIAZABICYCLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
EP-0818447-B1 6-(Hydroxymethyl-ethyl)pyridines as HMG-CoA-reductase inhibitors BAYER HEALTHCARE AG (DE) 2004-05-26 EP disclosed
EP-0818447-A1 6-(Hydroxymethyl-ethyl)pyridines as HMG-CoA-reductase inhibitors BAYER AG (DE) 1998-01-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150065708-A1 COMPOUND JK12A AND PREPARATION THEREOF GRIK5, GRIK2, GRIK1 ESRRB 4737/4885KMT2A 92/4885ALDH1A1 1281/4885
US-20140323744-A1 PROCESS FOR PREPARATION OF (3R)-2,4-DI-LEAVING GROUP-3-METHYLBUT-1-ENE ALG8, LSS, GYPA ESRRB 1022/4885KMT2A 1203/4885ALDH1A1 2746/4885
US-20060223795-A1 Novel diazabicyclononene derivatives REN, ACE, ACE2 ESRRB 3728/4885KMT2A 4406/4885ALDH1A1 733/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.